1-[[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-methyl-benzimidazol-2-one

Systemtic Name: 1-[[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-methyl-benzimidazol-2-one Openeye Name: 1-[[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-methyl-benzimidazol-2-one CAS Name: 1-[[4-(2,5-dimethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-3-methyl-2-benzimidazolone IUPAC Name: 1-[[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-methylbenzimidazol-2-one Traditional Name: 1-[[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-methyl-benzimidazol-2-one Formula: C21H27N4O5S+ MolecularWeight: 447.52788

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)OC)OC

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)OC)OC

InChI

InChI=1S/C21H26N4O5S/c1-22-17-6-4-5-7-18(17)25(21(22)26)15-23-10-12-24(13-11-23)31(27,28)20-14-16(29-2)8-9-19(20)30-3/h4-9,14H,10-13,15H2,1-3H3/p+1